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6-Butyl-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
SpectraBase Compound ID 7fo85eCGBwT
InChI InChI=1S/C18H13Cl2F3N4/c1-2-3-4-11-5-6-12-15(9-24)26-27(17(12)25-11)16-13(19)7-10(8-14(16)20)18(21,22)23/h5-8H,2-4H2,1H3
InChIKey LJDJWIZLPUCGSY-UHFFFAOYSA-N
Mol Weight 413.23 g/mol
Molecular Formula C18H13Cl2F3N4
Exact Mass 412.046936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMFOmr5e9uT
Name 6-Butyl-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
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Formula C18H13Cl2F3N4
InChI InChI=1S/C18H13Cl2F3N4/c1-2-3-4-11-5-6-12-15(9-24)26-27(17(12)25-11)16-13(19)7-10(8-14(16)20)18(21,22)23/h5-8H,2-4H2,1H3
InChIKey LJDJWIZLPUCGSY-UHFFFAOYSA-N
Instrument Name MicroMass GCT CA 055
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.224
Molecular Weight 413.231 g/mol
Reported Formula C18H13F3Cl2N4
SMILES C(CCC)c1ccc2c(n1)[n](nc2C#N)-c1c(cc(cc1Cl)C(F)(F)F)Cl
SPLASH splash10-00di-0009000000-3594b041070985e916bf
Source of Spectrum ARK-2009-266-23
Wiley ID 1866627